HMDB0041717 RDKit 3D Daidzein 4'-O-glucuronide 49 52 0 0 0 0 0 0 0 0999 V2000 -6.3631 1.8208 -1.5016 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2324 1.2869 -1.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1354 2.1012 -1.2019 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1089 -0.1656 -1.4804 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8707 -0.6969 -1.3264 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3226 -0.4834 -0.1068 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3267 0.4933 -0.2318 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9759 0.3771 -0.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 1.5573 -0.2808 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1129 1.5457 -0.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8194 0.4040 0.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2623 0.4701 0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8334 1.5062 0.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1560 1.6082 1.0873 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9091 0.6950 0.5360 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2945 0.7956 0.6677 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1013 -0.1769 0.0807 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4766 -0.0460 0.2314 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5798 -1.2306 -0.6228 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2015 -1.3321 -0.7547 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4116 -0.3794 -0.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0344 -0.4982 -0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5609 -1.4666 -0.9688 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0931 -0.7459 0.3374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2791 -0.7545 0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2264 -0.1990 1.0413 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6988 -0.7807 2.2198 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6255 -0.6867 0.9077 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5307 0.2382 1.4545 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0484 -0.9116 -0.5225 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9421 -2.2594 -0.8641 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5250 2.4160 -1.9449 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4961 -0.4825 -2.5126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7768 -1.4502 0.1513 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7529 2.4909 -0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6883 2.4742 -0.3104 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2178 2.2562 1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7178 1.6151 1.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9584 0.4928 -0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2087 -1.9898 -1.0810 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8083 -2.1726 -1.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6380 -1.6625 0.5844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8304 -1.6809 0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2242 0.8890 1.2412 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3271 -0.6578 2.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7875 -1.6374 1.4570 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2818 0.4336 0.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0629 -0.5830 -0.7480 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0854 -2.8370 -0.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 2 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 17 19 2 0 19 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 11 24 1 0 24 25 2 0 6 26 1 0 26 27 1 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 4 1 0 25 8 1 0 22 12 1 0 21 15 1 0 3 32 1 0 4 33 1 6 6 34 1 1 9 35 1 0 10 36 1 0 13 37 1 0 16 38 1 0 18 39 1 0 19 40 1 0 20 41 1 0 24 42 1 0 25 43 1 0 26 44 1 1 27 45 1 0 28 46 1 1 29 47 1 0 30 48 1 1 31 49 1 0 M END